trans-1,4-Dimethylcyclohexane

• CAS: 2207-04-7
• Catalog Number: ACM2207047
• Category: Other Products; Alkanes
• Molecular Weight: 112.21
• Hazard Statements: H225-H304-H315-H336
• RIDADR: UN 3295C 3 / PGIII
• Symbol: GHS02

Case Study

Study on the Influence of Isomer Structure of Branched Cyclic Hydrocarbons Including trans-1,4-Dimethylcyclohexane on Density

Wu, Yue, et al. The Journal of Physical Chemistry B, 2013, 117(29), 8821-8830.

The cis and trans conformations of branched cyclic hydrocarbons influence their packing and, consequently, their density. This report presents density measurements for branched cyclohexane (C6) compounds, including methylcyclohexane, ethylcyclohexane (ethylcC6), cis-1,2-dimethylcyclohexane (cis-1,2), cis-1,4-dimethylcyclohexane (cis-1,4), and trans-1,4-dimethylcyclohexane (trans-1,4), at temperatures up to 525 K and pressures reaching 275 MPa.
Key Findings
The densities of the four branched cyclic C6 isomers were calculated using the modified Tait equation at both the lowest (293 K) and highest (523 K) temperatures investigated. Throughout the entire temperature and pressure range, cis-1,2 exhibited the highest densities, while trans-1,4 had the lowest. This pattern was also consistent at the two other isotherms, 323 K and 423 K, aligning with ambient-pressure density values of 273, 293, and 313 K found in existing literature. This work conjectures that this variation in density arises from how methylcC6 molecules pack under high pressure, as the intermolecular attraction energies among these isomers are likely similar.

Research on the Solidification of Cyclic Hydrocarbons Such as trans-1,4-Dimethylcyclohexane

Wu, Yue, et al. Fuel, 2013, 111, 75-80.

The influence of pressure on the solidification of various saturated cyclic hydrocarbons (including trans-1,4-dimethylcyclohexane) and three isomers of xylene, has been experimentally assessed using a variable-volume view cell at pressures up to 300 MPa and temperatures beginning at 293.15 K.
Key Findings
· Solid-liquid transitions were identified for cyclooctane, cis-1,2-dimethylcyclohexane, trans-1,4-dimethylcyclohexane, p-xylene, o-xylene, and 2-methylnaphthalene.
· Conversely, methylcyclohexane, ethylcyclohexane, cis-1,4-dimethylcyclohexane, and m-xylene remained in a liquid state across the same range of pressures and temperatures.
· The experimental data on solid-liquid transitions were accurately represented using two empirical models: the Simon equation and a second-order polynomial equation.
· Additionally, the solidification data for trans-1,4-dimethylcyclohexane and the parameters associated with the Simon equation, along with the absolute average deviation (AAD), are compiled in the tables.

Custom Q&A

What is the molecular formula of trans-1,4-Dimethylcyclohexane?

The molecular formula of trans-1,4-Dimethylcyclohexane is C8H16.

What is the molecular weight of trans-1,4-Dimethylcyclohexane?

The molecular weight of trans-1,4-Dimethylcyclohexane is 112.21 g/mol.

What is the IUPAC name of trans-1,4-Dimethylcyclohexane?

The IUPAC name of trans-1,4-Dimethylcyclohexane is 1,4-dimethylcyclohexane.

What is the InChI of trans-1,4-Dimethylcyclohexane?

The InChI of trans-1,4-Dimethylcyclohexane is InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3.

What is the InChIKey of trans-1,4-Dimethylcyclohexane?

The InChIKey of trans-1,4-Dimethylcyclohexane is QRMPKOFEUHIBNM-UHFFFAOYSA-N.

What is the canonical SMILES of trans-1,4-Dimethylcyclohexane?

The canonical SMILES of trans-1,4-Dimethylcyclohexane is CC1CCC(CC1)C.

What is the CAS number of trans-1,4-Dimethylcyclohexane?

The CAS number of trans-1,4-Dimethylcyclohexane is 589-90-2.

What is the EC number of trans-1,4-Dimethylcyclohexane?

The EC number of trans-1,4-Dimethylcyclohexane is 210-840-1.

What is the XLogP3-AA value of trans-1,4-Dimethylcyclohexane?

The XLogP3-AA value of trans-1,4-Dimethylcyclohexane is 3.8.

How many hydrogen bond donor counts does trans-1,4-Dimethylcyclohexane have?

trans-1,4-Dimethylcyclohexane has 0 hydrogen bond donor counts.